C2H4O2
Acetic acid
60.02113
C13H23N2O8PS
S-acetyl phosphopantetheine
398.09238
C00033
KEGG Compound
937
ChemSpider
1.0
3633-59-8
CAS
Water
AMP
BioCyc
1.0
[Citrate [pro-3S]-lyase] ligase
1.0
64-19-7
CAS
SMILES
O
Pyrophosphate
C10H14N5O7P
Adenosine monophosphate
347.06308
[an apo citrate-lyase acyl-carrier protein]
HMDB0000250
HMDB
1.0
SMILES
OP(O)(=O)OP(O)(O)=O
14000-31-8
CAS
CHEBI:16027
ChEBI
C12H23N2O6PS
4'-phosphopantetheine
354.10254
HMDB0000538
HMDB
PW002075
PathWhiz
ATP
BioCyc
[a holo citrate lyase acyl-carrier protein]
an acetyl-[holo citrate lyase acyl-carrier protein]
1.0
1.0
559142
ChemSpider
25203813
PubChem-compound
P77231
UniProt
CHEBI:15422
ChEBI
DEPHOSPHO-COA
BioCyc
SMILES
CC(O)=O
Escherichia coli
2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase
5742
ChemSpider
1038
PubChem-compound
7732-18-5
CAS
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
61-19-8
CAS
HMDB0000034
HMDB
SMILES
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
439335
PubChem-compound
Adenosine monophosphate
C21H35N7O13P2S
Dephospho-CoA
687.14886
1.0
5858
ChemSpider
C10H16N5O13P3
Adenosine triphosphate
506.99576
1010
ChemSpider
388463
ChemSpider
Acetic acid
1.0
HMDB0000045
HMDB
Adenine
PPI
BioCyc
C5H5N5
Adenine
135.05449
Citrate Lyase Activation
HMDB0001373
HMDB
[an apo citrate-lyase acyl-carrier protein]
HMDB0000042
HMDB
CHEBI:15366
ChEBI
962
PubChem-compound
1.0
2'-(5-Triphosphoribosyl)-3'-dephospho-CoA
Hydrogen Ion
Adenosine triphosphate
25203684
PubChem-compound
C00080
KEGG Compound
Dephospho-CoA
171
ChemSpider
HMDB0002111
HMDB
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS
1.0
CHEBI:15377
ChEBI
2.4.2.52
false
2.4.2.52
Adenosine triphosphate + Dephospho-CoA + Hydrogen Ion → 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA + Adenine
LEFT_TO_RIGHT
CHEBI:15378
ChEBI
SMILES
[H+]
2.7.7.61
false
2.7.7.61
[an apo citrate-lyase acyl-carrier protein] + 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA → Hydrogen Ion + Pyrophosphate + [a holo citrate lyase acyl-carrier protein]
LEFT_TO_RIGHT
ADENINE
BioCyc
Reaction6062
false
Acetic acid + Hydrogen Ion + [a holo citrate lyase acyl-carrier protein] → Water + an acetyl-[holo citrate lyase acyl-carrier protein]
LEFT_TO_RIGHT
6.2.1.22
false
6.2.1.22
Acetic acid + Adenosine triphosphate + [a holo citrate lyase acyl-carrier protein] → Adenosine monophosphate + Pyrophosphate + an acetyl-[holo citrate lyase acyl-carrier protein]
LEFT_TO_RIGHT
SMILES
[H][C@](O)(C(O)=NCCC(O)=NCCS)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]([H])(O)[C@@]2([H])O)[C@]1([H])O
Reaction6064
false
S-acetyl phosphopantetheine + [a holo citrate lyase acyl-carrier protein] → 4'-phosphopantetheine + an acetyl-[holo citrate lyase acyl-carrier protein]
LEFT_TO_RIGHT
C00001
KEGG Compound
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
CHEBI:18361
ChEBI
C00882
KEGG Compound
C00002
KEGG Compound
[Citrate [pro-3S]-lyase] ligase
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
1.0
2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase
[a holo citrate lyase acyl-carrier protein]
an acetyl-[holo citrate lyase acyl-carrier protein]
SMILES
NC1=C2NC=NC2=NC=N1
ReactionCatalysis6026
ACTIVATION
1.0
ReactionCatalysis6025
ACTIVATION
ReactionCatalysis6024
ACTIVATION
P0A6G5
UniProt
644102
PubChem-compound
SMILES
CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])([O-])=O
4'-phosphopantetheine
CHEBI:15468
ChEBI
P77390
UniProt
6083
PubChem-compound
C00013
KEGG Compound
H4O7P2
Pyrophosphate
177.94322
H2O
Water
18.010565
5957
PubChem-compound
190
PubChem-compound
CHEBI:16708
ChEBI
562
TAXONOMY
SMP0002087
SMPDB
H
Hydrogen Ion
1.007825
HMDB0059597
HMDB
C26H46N7O26P5S
2'-(5-Triphosphoribosyl)-3'-dephospho-CoA
1059.0901
SMILES
CC(C(=O)NCCC(=O)NCCS)C(C)(C)COP([O-])([O-])=O
1.0
56-65-5
CAS
C00020
KEGG Compound
C00147
KEGG Compound
S-acetyl phosphopantetheine
176
PubChem-compound
ACET
BioCyc
185
ChemSpider
1.0
CHEBI:61723
ChEBI
73-24-5
CAS